smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN[C@@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)P(=O)([O-])[O-] ZINC000013440475 220067129 /nfs/dbraw/zinc/06/71/29/220067129.db2.gz NEXBAIGDQQSPJV-GFCCVEGCSA-N -2 3 358.247 1.125 1 5 FDBFHL CNC(=O)Nc1ccc2c(c1)c(=CC(=O)[O-])c1c2[n-]c(=O)c2nccn21 ZINC000100848085 222254982 /nfs/dbraw/zinc/25/49/82/222254982.db2.gz ZWARPVUWEMVTAD-XFFZJAGNSA-N -2 3 351.322 1.077 1 5 FDBFHL CCCN[C@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)P(=O)([O-])[O-] ZINC000013440477 211033987 /nfs/dbraw/zinc/03/39/87/211033987.db2.gz NEXBAIGDQQSPJV-LBPRGKRZSA-N -2 3 358.247 1.125 1 5 FDBFHL [NH3+][C@H](Cc1nc2cc3ccccc3cc2nc1CP(=O)([O-])[O-])C(=O)[O-] ZINC000013861302 211063899 /nfs/dbraw/zinc/06/38/99/211063899.db2.gz CAKPNNQRUWQOND-LLVKDONJSA-N -2 3 361.294 1.415 1 5 FDBFHL